[(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)C2=CC(=C(C=C2)C)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C)C(=O)C2=CC(=C(C=C2)C)C)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23NO7/c1-6-28-19-10-16(17(22(25)26)11-18(19)27-5)21(24)29-14(4)20(23)15-8-7-12(2)13(3)9-15/h7-11,14H,6H2,1-5H3/t14-/m1/s1